Molecular simulations and hydrodynamic theory of nonlocal shear stress correlations in supercooled fluids and glasses

ORAL

Abstract

A supercooled fluid close to the glass transition develops nonlocal shear stress correlations that anticipate the emergence of elasticity. We performed molecular dynamics simulations of a binary Lennard-Jones mixture at different temperatures and investigated the spatiotemporal autocorrelation function of the shear stress for different wavevectors, q, from a locally measured and Fourier-transformed stress tensor. Anisotropic correlations are observed at non-zero wavevectors, exhibiting strongly damped oscillations with a characteristic frequency ω(q). A comparison with a recently developed hydrodynamic theory [Maier et al., Phys. Rev. Lett. 119, 265701 (2017)] shows a remarkably good quantitative agreement between the particle-based simulations and the theoretical predictions.

*JR thanks the Alexander von Humboldt Foundation for financial support.

Publication: The Journal of Chemical Physics 157 (6), 064501 (2022)

Presenters

  • Joerg Rottler

    • University of British Columbia

Authors

  • Joerg Rottler

    • University of British Columbia
  • David Steffen

    • Universitaet Goettingen
  • Ludwig Schneider

    • University of Chicago, PME
  • Marcus Mueller

    • University of Gottingen